2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide

C13H10F2N2O — CID 155976888

IUPAC2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C13H10F2N2O/c1-8-5-6-16-7-11(8)17-13(18)12-9(14)3-2-4-10(12)15/h2-7H,1H3,(H,17,18)
InChIKeyVQEDSEANOLBUTH-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.92
Rot. Bonds2

About 2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide

2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide (PubChem CID 155976888) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
PubChem CID155976888
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C13H10F2N2O/c1-8-5-6-16-7-11(8)17-13(18)12-9(14)3-2-4-10(12)15/h2-7H,1H3,(H,17,18)
InChIKeyVQEDSEANOLBUTH-UHFFFAOYSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327399
5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
5-fluoro-6-methyl-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 146080352
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
2-hydroxy-N-(4-methyl-3-pyridinyl)benzamide
CID 63327806
6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 63327625
3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 114558544
N-(4-chloro-3-pyridinyl)-2,6-dimethylbenzamide
CID 103769247
2-fluoro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 55203428
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63326435
2-(3-fluorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 154859403

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide (CID 155976888) is 2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide is Cc1ccncc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide?
The InChIKey is VQEDSEANOLBUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c1-8-5-6-16-7-11(8)17-13(18)12-9(14)3-2-4-10(12)15/h2-7H,1H3,(H,17,18).
What are the key properties of 2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide?
2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide has a molecular weight of 248.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 155976888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).